4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(4-sec-butylphenyl)sulfonylpiperazino]sulfonylbenzofurazan Formula: C20H24N4O5S2 MolecularWeight: 464.55836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C20H24N4O5S2/c1-3-15(2)16-7-9-17(10-8-16)30(25,26)23-11-13-24(14-12-23)31(27,28)19-6-4-5-18-20(19)22-29-21-18/h4-10,15H,3,11-14H2,1-2H3